fix some imports

rdkit_utilities/Utils.py

@@ -4,25 +4,6 @@
 import numpy as np
 
 
-def reorder_constructed_molecule(func):
-    @functools.wraps(func)
-    def wrapper(
-        *args,
-        orderByMapNumber: bool = False,
-        clearAtomMapNumbers: bool = False,
-        **kwargs
-    ):
-        mol = func(*args, **kwargs)
-        if orderByMapNumber and mol is not None:
-            from .rdmolops import OrderByMapNumber
-            mol = OrderByMapNumber(mol, clearAtomMapNumbers=clearAtomMapNumbers)
-        elif clearAtomMapNumbers:
-            for atom in mol.GetAtoms():
-                atom.SetAtomMapNum(0)
-        return mol
-    return wrapper
-
-
 def compute_atom_distance_matrix(coordinates: np.ndarray) -> np.ndarray:
     """Compute atom-to-atom distance for each conformer
 

rdkit_utilities/__init__.py

@@ -17,6 +17,7 @@
 from .rdMolAlign import *
 from .rdmolfiles import *
 from .rdmolops import *
+from . import utils
 
 # Handle versioneer
 from ._version import get_versions

rdkit_utilities/_io/_rdmolfiles.py

@@ -1,16 +1,35 @@
+import functools
 from typing import Optional, Dict
 
 from rdkit import Chem as rdChem
 
 
-from rdkit_utilities.utils import reorder_constructed_molecule
-
 __all__ = [
+    "reorder_constructed_molecule",
     "MolFromSmiles",
     "MolFromSmarts",
 ]
 
 
+def reorder_constructed_molecule(func):
+    @functools.wraps(func)
+    def wrapper(
+        *args,
+        orderByMapNumber: bool = False,
+        clearAtomMapNumbers: bool = False,
+        **kwargs
+    ):
+        mol = func(*args, **kwargs)
+        if orderByMapNumber and mol is not None:
+            from rdkit_utilities.rdmolops import OrderByMapNumber
+            mol = OrderByMapNumber(mol, clearAtomMapNumbers=clearAtomMapNumbers)
+        elif clearAtomMapNumbers:
+            for atom in mol.GetAtoms():
+                atom.SetAtomMapNum(0)
+        return mol
+    return wrapper
+
+
 @reorder_constructed_molecule
 def MolFromSmiles(
     smiles: str,

rdkit_utilities/rdmolfiles.py

@@ -10,7 +10,6 @@
 
 from ._io._rdmolfiles import *
 from ._io._parser import ALL_RDKIT_PARSERS, molecule_from_input
-from rdkit_utilities.utils import reorder_constructed_molecule
 
 
 @reorder_constructed_molecule